1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)methyl]isonipecotic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O4/c26-23(27)15-6-9-25(10-7-15)22(18-3-4-20-21(12-18)29-14-28-20)17-1-2-19-13-24-8-5-16(19)11-17/h1-5,8,11-13,15,22H,6-7,9-10,14H2,(H,26,27)